Sugi Predict

Sugi Predict / Compounds / SCHEMBL786133

SCHEMBL786133

SCHEMBL786133

Clc1nc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ ADORA3 P0DMS8 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADORA1 P30542 3/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ ESR1 P03372 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31388225 1.00 MEN1 (0.55) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL22201436 0.87 PRKCH (0.52) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
Quinoline SCHEMBL27467667 0.86 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL7258823 0.85 CYP19A1 (0.47) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL4767456 0.85 AGTR1 (0.45) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL14727429 0.83 CYP11B1 (0.57) KMT2AALDH1A1KDM4ELMNA
SCHEMBL15124692 0.82 MEN1 (0.53) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL28619679 0.82 CYP1A2 (0.44) MEN1KMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL4763954 0.81 NPC1 (0.58) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4766591 0.81 TOP1 (0.44) SMN1; SMN2ADORA3IDO1TDO2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431318-A Organic compound, organic electroluminescent device and electronic device comprising the same 陕西莱特光电材料股份有限公司 2025-02-14 — — CN disclosed
WO-2025031012-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2025-02-13 — — WO disclosed
CN-109678798-A A kind of synthetic method of isoquinoline compound 湖南科技大学 2019-04-26 — — CN disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
EP-2033654-B1 Process for resolving a mixture of alkyl ester enantiomers using an enzyme BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
EP-2033654-B1 Process for resolving a mixture of alkyl ester enantiomers using an enzyme BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-8034944-B2 Benzofluoranthene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-10-11 — — US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 — — US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 — — US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 — — US disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 — — EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 — — EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 — — US disclosed
US-4801593-A VIRICIDE FOR RHINITIS VIRUS CONTAINING 2-PHENYLTETRALIN DERIVATIVE BURROUGHS WELLCOME CO. (US) 1989-01-31 — — US disclosed
EP-0025598-B1 THE USE OF 2-PHENYLTETRALIN DERIVATIVES, OR HETEROCYCLIC ANALOGUES, IN MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-08-01 — — EP disclosed
EP-0025598-A1 The use of 2-phenyltetralin derivatives, or heterocyclic analogues, in medicine and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 — — EP disclosed
US-3961062-A Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MEN1 4790/4885KMT2A 1061/4885L3MBTL1 2556/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885L3MBTL1 3025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.